SCHEMBL31416731

SCHEMBL31416731

Nc1ccc(CN2CC3(COC3)C2)nn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
KCNH2 Q12809 2/20 0.31
MCHR1 Q99705 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31416849 0.81 ALDH1A1 (0.40) TLR8TLR7KCNH2MCHR1HRH3
SCHEMBL31416817 0.79 NOS3 (0.38)
SCHEMBL20509326 0.77 TLR8 (0.37) TLR8TLR7KCNH2MCHR1HRH3
SCHEMBL31416767 0.75 CXCR4 (0.36) TLR8TLR7KCNH2MCHR1HRH3
SCHEMBL24046712 0.75 CYP11B1 (0.34) TLR8TLR7KCNH2MCHR1HRH3
SCHEMBL30351050 0.75 LMNA (0.37) TLR8TLR7KCNH2MCHR1HRH3
SCHEMBL14764263 0.74 TLR8 (0.39) TLR8TLR7KCNH2MCHR1HRH3
SCHEMBL31416784 0.74 KCNH2 (0.34) KCNH2MCHR1
SCHEMBL34471630 0.71 GRM2 (0.38) TLR8TLR7HRH3MBOAT4
SCHEMBL18202729 0.70 ALDH1A1 (0.44)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4746964-A1 NEW PYRAZOLOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
WO-2026046976-A1 PYRAZOLOPYRIDINE PHOSPHATE ESTERS FOR MODULATING SALT-INDUCIBLE KINASE (SIK) F. HOFFMANN-LA ROCHE AG (CH) 2026-03-05 WO disclosed
WO-2025017078-A1 NEW PYRAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-01-23 WO disclosed